methyl 3-(prop-2-enoylamino)propanoate

C7H11NO3 — CID 15609289

IUPACmethyl 3-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NCCC(=O)OC
InChIInChI=1S/C7H11NO3/c1-3-6(9)8-5-4-7(10)11-2/h3H,1,4-5H2,2H3,(H,8,9)
InChIKeyBLHVTCUBXYZCDU-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.15
Rot. Bonds4

About methyl 3-(prop-2-enoylamino)propanoate

methyl 3-(prop-2-enoylamino)propanoate (PubChem CID 15609289) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 3-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(prop-2-enoylamino)propanoate
PubChem CID15609289
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl 3-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NCCC(=O)OC
InChIInChI=1S/C7H11NO3/c1-3-6(9)8-5-4-7(10)11-2/h3H,1,4-5H2,2H3,(H,8,9)
InChIKeyBLHVTCUBXYZCDU-UHFFFAOYSA-N
XLogP-0.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(prop-2-enoylamino)propanoate?
The IUPAC name of methyl 3-(prop-2-enoylamino)propanoate (CID 15609289) is methyl 3-(prop-2-enoylamino)propanoate.
What is the SMILES notation for methyl 3-(prop-2-enoylamino)propanoate?
The canonical SMILES for methyl 3-(prop-2-enoylamino)propanoate is C=CC(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-(prop-2-enoylamino)propanoate?
The InChIKey is BLHVTCUBXYZCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-6(9)8-5-4-7(10)11-2/h3H,1,4-5H2,2H3,(H,8,9).
What are the key properties of methyl 3-(prop-2-enoylamino)propanoate?
methyl 3-(prop-2-enoylamino)propanoate has a molecular weight of 157.17 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 15609289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).